Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28824696 | 0.86 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL28045730 | 0.83 | CTSK (0.37) | CYP1A2ALDH1A1 | |
| SCHEMBL28868753 | 0.77 | LDHA (0.41) | LDHASLC6A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27729633 | 0.77 | — | — | |
| SCHEMBL28000370 | 0.74 | CTSK (0.36) | — | |
| SCHEMBL28027057 | 0.74 | CYP19A1 (0.30) | — | |
| SCHEMBL28268882 | 0.73 | — | — | |
| SCHEMBL28790153 | 0.73 | LDHA (0.35) | LDHASLC6A4ALDH1A1POLBTSHR | |
| SCHEMBL17713929 | 0.72 | ALDH1A1 (0.51) | SLC6A4CYP2D6ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL27977725 | 0.71 | AKR1B1 (0.33) | ALDH1A1NPC1RAB9A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105408335-A | Pyrazolopyrrolidine derivatives and their use in the treatment of disease | NOVARTIS AG | 2016-03-16 | — | — | CN | disclosed |